1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane

C14H29NO — CID 142297493

IUPAC1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
SMILESCC.CCC(CC(C)(C)C)N1CCCC1=O
InChIInChI=1S/C12H23NO.C2H6/c1-5-10(9-12(2,3)4)13-8-6-7-11(13)14;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyFTAUEXMLQHCQBZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.85
Rot. Bonds3

About 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane

1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane (PubChem CID 142297493) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
PubChem CID142297493
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
SMILESCC.CCC(CC(C)(C)C)N1CCCC1=O
InChIInChI=1S/C12H23NO.C2H6/c1-5-10(9-12(2,3)4)13-8-6-7-11(13)14;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyFTAUEXMLQHCQBZ-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
CID 173130930
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
1-decan-3-ylpyrrolidin-2-one
CID 175032444
2-[2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyl-ethyl-dimethylazanium;methane
CID 158708952
2-[2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyl-trimethylazanium
CID 58611503
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one
CID 142030366
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide
CID 126694344

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane?
The IUPAC name of 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane (CID 142297493) is 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane.
What is the SMILES notation for 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane?
The canonical SMILES for 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane is CC.CCC(CC(C)(C)C)N1CCCC1=O.
What is the InChIKey of 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane?
The InChIKey is FTAUEXMLQHCQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-5-10(9-12(2,3)4)13-8-6-7-11(13)14;1-2/h10H,5-9H2,1-4H3;1-2H3.
What are the key properties of 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane?
1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane has a molecular weight of 227.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane is sourced from PubChem (CID 142297493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).